SCHEMBL3785218

SCHEMBL3785218

Nc1cc(F)ccc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
HSD17B10 Q99714 2/20 0.54
TAAR1 Q96RJ0 2/20 0.45
GRM5 P41594 1/20 0.44
ADORA1 P30542 3/20 0.42
HDAC1 Q13547 1/20 0.42
ADORA2A P29274 2/20 0.42
CYP3A4 P08684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NCOA1 Q15788 1/20 0.40
NCOA3 Q9Y6Q9 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PTK2B Q14289 1/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30325664 0.85 TAAR1 (0.59) ALDH1A1TAAR1GRM5ADORA1ADORA2A
SCHEMBL3793523 0.84 TAAR1 (0.52) ALDH1A1HSD17B10TAAR1GRM5CYP3A4
SCHEMBL29492484 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10TAAR1ADORA1HDAC1
SCHEMBL3793169 0.83 ALDH1A1 (0.54) ALDH1A1HSD17B10TAAR1ADORA1HDAC1
SCHEMBL3791151 0.82 TAAR1 (0.50) ALDH1A1TAAR1GRM5CYP3A4MKNK1
SCHEMBL29462674 0.81 ALDH1A1 (0.55) ALDH1A1TAAR1GRM5HDAC1CYP1A2
Hydrochloric Acid SCHEMBL9311952 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10TAAR1ADORA1HDAC1
Ammonia Solution, Strong SCHEMBL11901716 0.81 ALDH1A1 (0.52) ALDH1A1HSD17B10TAAR1ADORA1HDAC1
SCHEMBL28228449 0.80 ALDH1A1 (0.44) ALDH1A1TAAR1GRM5HDAC1CYP1A2
SCHEMBL3787706 0.80 ALDH1A1 (0.59) ALDH1A1HSD17B10TAAR1HDAC1CYP3A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117024352-A Novel inhibitors 维沃里翁治疗股份有限公司 2023-11-10 CN disclosed
CN-110719910-B Novel inhibitors 维沃里翁治疗股份有限公司 2023-07-21 CN disclosed
CN-110627721-B Phenanthridine compound and synthesis method thereof 陕西科技大学 2022-06-14 CN disclosed
CN-107266481-B Material for organic electroluminescent element, display device, and lighting device 捷恩智株式会社 2020-04-14 CN disclosed
CN-110719910-A Novel inhibitors 前体生物药物股份公司 2020-01-21 CN disclosed
CN-110627721-A Phenanthridine compound and synthesis method thereof 陕西科技大学 2019-12-31 CN disclosed
US-9708340-B2 Urea derivatives and their use as fatty-acid binding protein (FABP) inhibitors HOFFMANN-LA ROCHE INC. (US) 2017-07-18 US disclosed
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS HOFFMANN-LA ROCHE INC. (US) 2016-06-30 US disclosed
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP disclosed
EP-0536151-B1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM BOOTS CO PLC (GB) 1994-09-14 EP disclosed
US-5302720-A Biphenyl-substituted guanidine derivatives useful as hypoglycaemic agents THE BOOTS COMPANY (GB) 1994-04-12 US disclosed
EP-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed
WO-1992000273-A1 ORTHOSUBSTITUTED BIPHENYL AMIDINE AND BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM THE BOOTS COMPANY PLC (GB) 1992-01-09 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160185795-A1 UREA DERIVATIVES AND THEIR USE AS FATTY-ACID BINDING PROTEIN (FABP) INHIBITORS FABP1, FABP5, FABP2 ALDH1A1 689/4885HSD17B10 900/4885TAAR1 2169/4885
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 ALDH1A1 4339/4885HSD17B10 1100/4885TAAR1 1746/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.